14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane

14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane

Common Name: 14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H42O9/c1-11(12(2)26)20(30)34-19-13-7-8-14-23(6,32)17-16(28)18(29)21(3,4)25(17,33)15(27)9-24(14,19)10-22(13,5)31/h11-19,26-29,31-33H,7-10H2,1-6H3/t11-,12-,13+,14-,15+,16+,17-,18+,19+,22+,23+,24-,25+/m0/s1

InChIKey: InChIKey=YKGHWWGUARTVTE-JJWGRQLOSA-N

Formula: C25H42O9

Molecular Weight: 486.596553

Exact Mass: 486.282883

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Huang, X.Z., Wang, Y.H., Yu, S.S., Fu, G.M., Hu, Y.C., Liu, Y., Fan, L.H. J Nat Prod (2005) 68, 1646-50

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 56.8
2 (CH) 80.9
3 (CH) 86.7
4 (C) 48.9
5 (C) 82.8
6 (CH) 71.8
7 (CH2) 44.5
8 (C) 50.4
9 (CH) 55.3
10 (C) 78.2
11 (CH2) 21.8
12 (CH2) 27.2
13 (CH) 54.6
14 (CH) 83
15 (CH2) 61.8
16 (C) 78.8
17 (CH3) 24.1
18 (CH3) 26.8
19 (CH3) 20.2
20 (CH3) 29.4
14a (C) 175.3
14b (CH) 48.8
14c (CH) 69.7
14d (CH3) 21.7
14ba (CH3) 14.2